(3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine

C10H15FN4 — CID 167387456

IUPAC(3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine
SMILESCc1cnc([C@@H]2C[C@H](F)[C@@H](N)CN2)cn1
InChIInChI=1S/C10H15FN4/c1-6-3-14-10(5-13-6)9-2-7(11)8(12)4-15-9/h3,5,7-9,15H,2,4,12H2,1H3/t7-,8-,9-/m0/s1
InChIKeyCPTMPFNOMFSQBL-CIUDSAMLSA-N
MW210.26 g/mol
LogP0.48
Rot. Bonds1

About (3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine

(3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine (PubChem CID 167387456) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is (3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine
PubChem CID167387456
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name(3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine
SMILESCc1cnc([C@@H]2C[C@H](F)[C@@H](N)CN2)cn1
InChIInChI=1S/C10H15FN4/c1-6-3-14-10(5-13-6)9-2-7(11)8(12)4-15-9/h3,5,7-9,15H,2,4,12H2,1H3/t7-,8-,9-/m0/s1
InChIKeyCPTMPFNOMFSQBL-CIUDSAMLSA-N
XLogP0.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine?
The IUPAC name of (3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine (CID 167387456) is (3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine.
What is the SMILES notation for (3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine?
The canonical SMILES for (3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine is Cc1cnc([C@@H]2C[C@H](F)[C@@H](N)CN2)cn1.
What is the InChIKey of (3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine?
The InChIKey is CPTMPFNOMFSQBL-CIUDSAMLSA-N. The full InChI is InChI=1S/C10H15FN4/c1-6-3-14-10(5-13-6)9-2-7(11)8(12)4-15-9/h3,5,7-9,15H,2,4,12H2,1H3/t7-,8-,9-/m0/s1.
What are the key properties of (3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine?
(3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine has a molecular weight of 210.26 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-4-fluoro-6-(5-methylpyrazin-2-yl)piperidin-3-amine is sourced from PubChem (CID 167387456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).